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Add mixing rules in GOMC docs for Mie and Exp6 potentials #30

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bc118 opened this issue Aug 5, 2023 · 0 comments

bc118 commented Aug 5, 2023 •

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When someone updates the GOMC docs, we should note the mixing rules/combining rules for Mie and Exp6 potentials.

Mie -> n_ij = (n_ii + n_jj)/2

Exp6 -> alpha_ij = (alpha_ii + alpha_jj)^0.5 (edited)

Maybe add the sigmas (arithmetic) and epsilon (geometric) mixing rules/combining rules also.

11:38
Maybe add the sigmas (arithemic) and epsilon (geometric) mixing rules also.

Change page 43 of the manual from "ParaTypeCHARMM yes" to "ParaTypeCHARMM true"

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